1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol

C21H22ClNO2 — CID 4716219

IUPAC1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C21H22ClNO2/c1-15(24)12-23-13-19-18-8-4-2-6-16(18)10-11-21(19)25-14-17-7-3-5-9-20(17)22/h2-11,15,23-24H,12-14H2,1H3
InChIKeyMTQLEULVYDSOEA-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.54
Rot. Bonds7

About 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol

1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (PubChem CID 4716219) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
PubChem CID4716219
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1c(OCc2ccccc2Cl)ccc2ccccc12
InChIInChI=1S/C21H22ClNO2/c1-15(24)12-23-13-19-18-8-4-2-6-16(18)10-11-21(19)25-14-17-7-3-5-9-20(17)22/h2-11,15,23-24H,12-14H2,1H3
InChIKeyMTQLEULVYDSOEA-UHFFFAOYSA-N
XLogP4.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol (CID 4716219) is 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is CC(O)CNCc1c(OCc2ccccc2Cl)ccc2ccccc12.
What is the InChIKey of 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
The InChIKey is MTQLEULVYDSOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c1-15(24)12-23-13-19-18-8-4-2-6-16(18)10-11-21(19)25-14-17-7-3-5-9-20(17)22/h2-11,15,23-24H,12-14H2,1H3.
What are the key properties of 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol?
1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol has a molecular weight of 355.87 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol is sourced from PubChem (CID 4716219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).